5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide

C26H33N7O2 — CID 59191634

IUPAC5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(C)O)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C26H33N7O2/c1-17-16-32(25-20(4)19(3)22(30-31-25)12-21-8-6-5-7-9-21)10-11-33(17)24-15-27-23(14-28-24)26(35)29-13-18(2)34/h5-9,14-15,17-18,34H,10-13,16H2,1-4H3,(H,29,35)/t17-,18?/m1/s1
InChIKeyRGTBFZDODFBZGR-QNSVNVJESA-N
MW475.60 g/mol
LogP2.30
Rot. Bonds7

About 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide

5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide (PubChem CID 59191634) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide
PubChem CID59191634
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC Name5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(C)O)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C26H33N7O2/c1-17-16-32(25-20(4)19(3)22(30-31-25)12-21-8-6-5-7-9-21)10-11-33(17)24-15-27-23(14-28-24)26(35)29-13-18(2)34/h5-9,14-15,17-18,34H,10-13,16H2,1-4H3,(H,29,35)/t17-,18?/m1/s1
InChIKeyRGTBFZDODFBZGR-QNSVNVJESA-N
XLogP2.30
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

CID 168294210
CID 168294210
CID 45107175
CID 45107175
CID 59191456
CID 59191456
CID 59191463
CID 59191463
CID 59191465
CID 59191465
CID 59191466
CID 59191466
CID 59191477
CID 59191477
CID 59191486
CID 59191486
CID 59191489
CID 59191489
CID 59191504
CID 59191504
CID 59191505
CID 59191505
CID 59191508
CID 59191508

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide (CID 59191634) is 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide is Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)NCC(C)O)cn3)[C@H](C)C2)c1C.
What is the InChIKey of 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide?
The InChIKey is RGTBFZDODFBZGR-QNSVNVJESA-N. The full InChI is InChI=1S/C26H33N7O2/c1-17-16-32(25-20(4)19(3)22(30-31-25)12-21-8-6-5-7-9-21)10-11-33(17)24-15-27-23(14-28-24)26(35)29-13-18(2)34/h5-9,14-15,17-18,34H,10-13,16H2,1-4H3,(H,29,35)/t17-,18?/m1/s1.
What are the key properties of 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide?
5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide has a molecular weight of 475.60 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(2-hydroxypropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 59191634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).